SCHEMBL27366612

SCHEMBL27366612

NC1=CC=CC(N)(C=Cc2ccccc2)C1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.37
CYP19A1 P11511 2/20 0.37
MAOA P21397 2/20 0.37
GRM4 Q14833 2/20 0.33
HDAC6 Q9UBN7 1/20 0.33
KDM1A O60341 2/20 0.33
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
CHAT P28329 1/20 0.31
KDM4E B2RXH2 2/20 0.30
ALDH1A1 P00352 2/20 0.30
POLB P06746 1/20 0.30
MEN1 O00255 1/20 0.30
HPGD P15428 1/20 0.30
KMT2A Q03164 1/20 0.30
IDO1 P14902 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Butane SCHEMBL27907222 0.93 RELA (0.34) MAOBCYP19A1MAOANPC1RAB9A
SCHEMBL27809638 0.87 KDM4E (0.34) KDM4E
SCHEMBL27861320 0.83 CYP1A2 (0.31) ALDH1A1
SCHEMBL8742114 0.72 MAOB (0.35) MAOBCYP19A1MAOAGRM4HDAC6
SCHEMBL2180552 0.68 MAOA (0.37) MAOBMAOAKDM1A
Methane SCHEMBL29222891 0.67 MAOA (0.36) MAOBMAOAKDM1A
SCHEMBL27508876 0.67 MAOB (0.37) MAOBCYP19A1MAOAGRM4HDAC6
Benzene SCHEMBL27535200 0.66 MAOB (0.40) MAOBCYP19A1MAOAGRM4HDAC6
SCHEMBL27458050 0.66 MAOB (0.40) MAOBCYP19A1MAOAGRM4HDAC6
SCHEMBL20527381 0.64 MAOB (0.46) MAOBCYP19A1MAOAHDAC6KDM1A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103402978-A Process for preparing polyisocyanates containing biuret groups BASF SE 2013-11-20 CN claimed
CN-106458883-A Chlorine resistant polyethylene compounds and articles made therefrom 弗纳技术股份有限公司 2017-02-22 CN disclosed
CN-101796050-B The manufacture method of optical activity 3-quinuclidinol derivatives NIPPON SODA CO.,LTD. (JP) 2015-08-12 CN disclosed
CN-103402978-A Process for preparing polyisocyanates containing biuret groups BASF SE 2013-11-20 CN disclosed
CN-1121906-C Long-lived homogenous oxidation catalyst UNIV CARNEGIE MELLON (US) 2003-09-24 CN disclosed
CN-1052735-C Water insoluble cross-linked polycarbonic acid composition LEAGUR CHEMICAL CO LTD (US) 2000-05-24 CN disclosed
CN-1230903-A Long-lived homogenous oxidation catalyst UNIV CARNEGIE MELLON (US) 1999-10-06 CN disclosed
CN-1148396-A Water insoluble cross-linked polycarbonic acid composition LEAGUR CHEMICAL CO LTD (US) 1997-04-23 CN disclosed
CN-86108964-A In order to paste the composition that contains arylaliphatic copolyimide having etherchains and Resins, epoxy of polymeric film and sheet metal 1987-08-12 CN disclosed